heteronuclear single quantum coherence total...
URL: https://www.chemotion-repository.net/inchikey/ZTMWUEFPXMDDBX-UHFFFAOYSA-N/CHMO0001071
Dataset description:
dataset for heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)\n\n
Source: heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)
Chemical Info
| InChI | InChI=1S/C64H50N2O4S2/c1-67-47-21-25-57-53(35-47)54-36-48(68-2)22-26-58(54)65(57)45-17-13-43(14-18-45)61-29-31-63(71-61)51-33-39-5-9-41(51)11-7-40-6-10-42(12-8-39)52(34-40)64-32-30-62(72-64)44-15-19-46(20-16-44)66-59-27-23-49(69-3)37-55(59)56-38-50(70-4)24-28-60(56)66/h5-6,9-10,13-38H,7-8,11-12H2,1-4H3 |
|---|---|
| SMILES | COc1ccc2c(c1)c1cc(OC)ccc1n2c1ccc(cc1)c1ccc(s1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(s1)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)OC)OC |
| InChI Key | ZTMWUEFPXMDDBX-UHFFFAOYSA-N |
| Molecular Formula | C64H50N2O4S2 |
| Exact Mass | 975.223 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 8, 2024 |
| Metadata last updated | September 8, 2024 |
| Created | September 8, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | 66a33673-3031-4e54-a7ae-d603755e8f3b |
| Package id | 10-14272-ztmwuefpxmddbx-uhfffaoysa-n-chmo0001071 |
| Resource type | HTML |
| State | active |